Crystallography Open Database

Information card for entry 7246244

Preview

Coordinates	7246244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C312 H300 Mg24 O78 S24
Calculated formula	C312 H288 Mg24 O78 S24
Title of publication	A calixarene-based coordination cage as an efficient luminescent sensor for Fe3+, MnO4−, NB and 2,4-DNP in aqueous medium
Authors of publication	Zhang, Jiamao; Deng, Yue; Wang, Shentang; Yang, Jun; Hu, Shanshan
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	10
Pages of publication	1495 - 1500
a	26.17 ± 0.005 Å
b	26.17 ± 0.005 Å
c	43.516 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	29803 ± 13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.2404
Weighted residual factors for all reflections included in the refinement	0.2535
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282318 (current)	2023-04-04	cif/ Updating files of 7246244 Original log message: Adding full bibliography for 7246244.cif.	7246244.cif
280973	2023-02-20	cif/ Adding structures of 7246244 via cif-deposit CGI script.	7246244.cif